Triazine- and Keto-Functionalized Porous Covalent Organic Framework as a Promising Anode Material for Na-Ion Batteries: A First-Principles Study

2020 ◽  
Vol 124 (29) ◽  
pp. 15870-15878 ◽  
Author(s):  
Biswajit Ball ◽  
Pranab Sarkar
Keyword(s):  
Anode Material ◽  
First Principles ◽  
Covalent Organic Framework ◽  
First Principles Study ◽  
Organic Framework

First-Principles Study of Molecular Carbon Dioxide Adsorption in Covalent Organic Framework-112

2019 ◽  
Vol 11 (3) ◽  
pp. 317-324 ◽  
Author(s):  
Wei-Chao Zhang ◽  
Shu-Ting Zhang ◽  
Zhi Sun ◽  
Wei-Feng Sun ◽  
Li-Yong Zhang ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
First Principles ◽  
Carbon Dioxide Adsorption ◽  
Covalent Organic Framework ◽  
First Principles Study ◽  
Organic Framework

scholarly journals Covalent organic framework based microspheres as an anode material for rechargeable sodium batteries

2018 ◽  
Vol 6 (34) ◽  
pp. 16655-16663 ◽  
Author(s):  
Bidhan Chandra Patra ◽  
Sabuj Kanti Das ◽  
Arnab Ghosh ◽  
Anish Raj K ◽  
Parikshit Moitra ◽  
...  
Keyword(s):  
Anode Material ◽  
Gas Adsorption ◽  
Optoelectronic Devices ◽  
Covalent Organic Frameworks ◽  
Covalent Organic Framework ◽  
Sodium Batteries ◽  
Organic Framework

Covalent organic frameworks (COFs) promise several benefits as materials in terms of gas adsorption, for use in optoelectronic devices, etc.

First principles study of a SnS2/graphene heterostructure: a promising anode material for rechargeable Na ion batteries

2016 ◽  
Vol 4 (37) ◽  
pp. 14316-14323 ◽  
Author(s):  
Abdus Samad ◽  
Mohammad Noor-A-Alam ◽  
Young-Han Shin
Keyword(s):  
Ionic Conductivity ◽  
Anode Material ◽  
First Principles ◽  
Storage Capacity ◽  
Mechanical Stability ◽  
Low Cost ◽  
High Potential ◽  
First Principles Study

The low cost, high Na storage capacity, high electronic and ionic conductivity, nontoxic nature, and enhanced mechanical stability of the SnS2/graphene heterostructure show the high potential of this material as a commercial anode material for Na ion batteries.

Li intercalation mechanisms in CaTi5O11, a bronze-B derived compound

2016 ◽  
Vol 18 (47) ◽  
pp. 32042-32049 ◽  
Author(s):  
Donghee Chang ◽  
Anton Van der Ven
Keyword(s):  
Electrochemical Properties ◽  
Anode Material ◽  
First Principles ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion

A first-principles study was performed to elucidate the electrochemical properties of CaTi5O11, a recently discovered compound that is a crystallographic variant of TiO2(B) and that shows promise as an anode material for Li-ion batteries.

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